AG0003CH

10097-02-6 | Butanoic acid, 2,2-bis(hydroxymethyl)-

AG0003CH

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CAS Number	10097-02-6
Catalog Number	AG0003CH(AGN-PC-0KS21F)
Chemical Name	Butanoic acid, 2,2-bis(hydroxymethyl)-
IUPAC Name	2,2-bis(hydroxymethyl)butanoic acid
InChI	InChI=1S/C6H12O4/c1-2-6(3-7,4-8)5(9)10/h7-8H,2-4H2,1H3,(H,9,10)
InChI Key	JVYDLYGCSIHCMR-UHFFFAOYSA-N
MDL Number	MFCD00190088
Molecular Formula	C6H12O4
Molecular Weight	148.1571
SMILES	CCC(CO)(CO)C(O)=O
UNII	42UJ0Z625V
Synonyms	10097-02-6, 2,2-bis(hydroxymethyl)butanoic acid, 2,2-Bis(hydroxymethyl)butyric acid, 2,2-Dimethylolbutyric Acid, Butanoic acid, 2,2-bis(hydroxymethyl)-, Dimethylol butanoic acid, UNII-42UJ0Z625V, 2,2'-Bis(hydroxymethyl)butyric acid, 42UJ0Z625V, Butanoic acid, bis(hydroxymethyl)-, J-660016, dimethylolbutyric acid, AC1MNBKP, LS-181605, ACMC-2097tk, EC 424-090-1, SCHEMBL39652, KSC268K4R, 2,2-dihydroxymethylbutyric acid, Jsp000175, DTXSID8064939, CTK1G8548, JVYDLYGCSIHCMR-UHFFFAOYSA-, 2,2-bis-(Hydroxymethyl)-n-buty, JVYDLYGCSIHCMR-UHFFFAOYSA-N, 2,2-Bis(hydroxymethyl)butyricacid, ZINC403181, BCP05575, KS-00000UP3, ZX-AT011246, ANW-14406, FCH963935, MFCD00190088, OR9442, SBB065923, AKOS006220771, 2,2-bis(hydroxymethyl)-n-butyric acid, AM90355, RL00065, RTR-000282, 2,2-bis-(Hydroxymethyl)-n-butyric acid, AJ-21970, AK114519, S994, SC-47214, 2,2-Bis(hydroxymethyl)butyric acid, 98%, AX8064312, ST2415584, TR-000282, FT-0609186, A800306, C-42393, I04-0862, J-506779, 2,2-Bis(hydroxymethyl)butyric acid, Vetec(TM) reagent grade, 98%, InChI=1/C6H12O4/c1-2-6(3-7,4-8)5(9)10/h7-8H,2-4H2,1H3,(H,9,10), 56743-27-2, none, Dimethylolbutanoic Acid(DMBA), C6H12O4, 2,2-Bis(hydroxymethyl) butyric acid, C6-H12-O4, ACN-037881, CID3301396, B2038, 2,2-Bis(hydroxymethyl)butyric acid, 99% - 100G 100g,

Complexity	117
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.074g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	148.158g/mol
Monoisotopic Mass	148.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number